3-BROMOBOLDINE


SMILES COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C
InChIKey ORZPHDSNVICTTE-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 405.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pKi 7.31 7.31 7.31 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 6.87 6.87 6.87 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.93 8.93 8.93 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 7.18 7.18 7.18 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 5.98 5.98 5.98 ChEMBL